Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8057c4bcd7e96a0403325f299cadf35b",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.139,
"b": 68.646,
"c": 131.679,
"alpha": 102.11,
"beta": 97.98,
"gamma": 89.88
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [220.000,2.250],
"number_observations": 152071,
"number_observations_unique": 78702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 3417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "Completeness",
"value": 40.000
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 7962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 8415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 8341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 8368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 8423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 8467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 8454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.850,3.850],
"number_observations_unique": 8507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [220.000,4.850],
"number_observations_unique": 8348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 1.900
}
]
}
]
}